2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide

C15H21ClN2O2S — CID 81201850

IUPAC2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)S(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C15H21ClN2O2S/c1-10(15(19)18-12-5-3-2-4-6-12)21(20)14-9-11(17)7-8-13(14)16/h7-10,12H,2-6,17H2,1H3,(H,18,19)
InChIKeyWGZXLKYHZVLBGY-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.87
Rot. Bonds4

About 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide

2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide (PubChem CID 81201850) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.87 g/mol. Its IUPAC name is 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
PubChem CID81201850
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.87 g/mol
Exact Mass328.10
IUPAC Name2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)S(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C15H21ClN2O2S/c1-10(15(19)18-12-5-3-2-4-6-12)21(20)14-9-11(17)7-8-13(14)16/h7-10,12H,2-6,17H2,1H3,(H,18,19)
InChIKeyWGZXLKYHZVLBGY-UHFFFAOYSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81206944
2-(5-amino-2-methylphenyl)sulfinyl-N-cyclohexylpropanamide
CID 81192665
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
2-(2-amino-5-fluorophenyl)sulfinyl-N-cyclopentylpropanamide
CID 81183408
2-(5-amino-2-chlorophenyl)sulfinyl-N-pentylpropanamide
CID 81201509
2-(3-aminophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81180898
2-(3-amino-2-methylphenyl)sulfinyl-N-cyclopentylpropanamide
CID 81190714
2-(4-amino-2-chlorophenyl)sulfinyl-N-(2-methylpropyl)propanamide
CID 81181954
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 7870552
2-[(6-amino-1H-benzimidazol-2-yl)sulfinyl]-N-cyclopropylpropanamide
CID 61366940
N-(3-aminophenyl)-2-(2-chlorophenyl)sulfinylpropanamide
CID 61303594
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide?
The IUPAC name of 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide (CID 81201850) is 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide.
What is the SMILES notation for 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide?
The canonical SMILES for 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)S(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide?
The InChIKey is WGZXLKYHZVLBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c1-10(15(19)18-12-5-3-2-4-6-12)21(20)14-9-11(17)7-8-13(14)16/h7-10,12H,2-6,17H2,1H3,(H,18,19).
What are the key properties of 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide?
2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide has a molecular weight of 328.87 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-chlorophenyl)sulfinyl-N-cyclohexylpropanamide is sourced from PubChem (CID 81201850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).